E551-0034 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

E551-0034 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
E551-0034 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0034
2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E551-0034

Molecular Formula

C22H21ClN6O3S2 (C22 H21 ClN6 O3 S2)

Compound Name

2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

IUPAC name

2-{[3-(2-benzenesulfonamidoethyl)-[124]triazolo[43-b]pyridazin-6-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

SMILES

Cc(ccc(NC(CSc(cc1)nn2c1nnc2CCNS(c1ccccc1)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H21ClN6O3S2/c1-15-7-8-16(13-18(15)23)25-21(30)14-33-22-10-9-19-26-27-20(29(19)28-22)11-12-24-34(31,32)17-5-3-2-4-6-17/h2-10,13,24H,11-12,14H2,1H3,(H,25,30)

InChI Key

IWJXCAZKXDMFTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.03

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.15

Polar Surface Area

97.483

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E551-0034 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E551-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0034?
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What is the minimum amount of E551-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0034
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E551-0034 available by request